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Substance Name: IA 4 N-oxide
RN: 54484-91-2
InChIKey: UZIZCDFYYXJCMO-UHFFFAOYSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Mutation Data

Molecular Formula

  • C20-H22-Cl-N3-O2-S

Molecular Weight

  • 403.932
 
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Names and Synonyms

Name of Substance

  • IA 4 N-oxide

Synonyms

  • BRN 1092010
  • IA 4 N-oxide
  • IA-4 N-Oxide

Systematic Names

  • 2H-(1)Benzothiopyrano(4,3,2-cd)indazole-5-methanol, 8-chloro-2-(2-(diethylamino)ethyl)-, N-oxide
  • 8-Chloro-5-hydroxymethylbenzothiopyranoindazole N-oxide

Registry Numbers

CAS Registry Number

  • 54484-91-2

System Generated Number

  • 0054484912

Structure Descriptors

InChI

1S/C20H22ClN3O2S/c1-3-22(4-2)9-10-23-16-8-5-13(12-25)20-18(16)19(24(23)26)15-7-6-14(21)11-17(15)27-20/h5-8,11,25H,3-4,9-10,12H2,1-2H3

InChIKey

UZIZCDFYYXJCMO-UHFFFAOYSA-N

Smiles

c12c3c4c(cc(Cl)cc4)Sc2c(CO)ccc1n(CCN(CC)CC)[n+]3[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intramuscular 3500mg/kg (3500mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 200, Pg. 1, 1977.